(2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

C18H19N3OS — CID 135707304

IUPAC(2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1ccc(CC2S/C(=N\c3ncccc3C)NC2=O)cc1C
InChIInChI=1S/C18H19N3OS/c1-11-6-7-14(9-13(11)3)10-15-17(22)21-18(23-15)20-16-12(2)5-4-8-19-16/h4-9,15H,10H2,1-3H3,(H,19,20,21,22)
InChIKeyVSHWMDZXVFCLEL-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.47
Rot. Bonds3

About (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

(2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (PubChem CID 135707304) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
PubChem CID135707304
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1ccc(CC2S/C(=N\c3ncccc3C)NC2=O)cc1C
InChIInChI=1S/C18H19N3OS/c1-11-6-7-14(9-13(11)3)10-15-17(22)21-18(23-15)20-16-12(2)5-4-8-19-16/h4-9,15H,10H2,1-3H3,(H,19,20,21,22)
InChIKeyVSHWMDZXVFCLEL-UHFFFAOYSA-N
XLogP3.47
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (CID 135707304) is (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is Cc1ccc(CC2S/C(=N\c3ncccc3C)NC2=O)cc1C.
What is the InChIKey of (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The InChIKey is VSHWMDZXVFCLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-6-7-14(9-13(11)3)10-15-17(22)21-18(23-15)20-16-12(2)5-4-8-19-16/h4-9,15H,10H2,1-3H3,(H,19,20,21,22).
What are the key properties of (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
(2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one has a molecular weight of 325.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(3,4-dimethylphenyl)methyl]-2-[(3-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135707304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).